Пример #1
0
    def __init__(self):
        super().__init__()

        # check that the programs exist - this will raise an exception if
        # they do not...

        _Integrate()

        # place to store working data
        self._xds_data_files = {}
        self._intgr_experiments_filename = None

        # internal parameters to pass around
        self._xds_integrate_parameters = {}

        # factory for pointless -used for converting INTEGRATE.HKL to .mtz
        self._factory = CCP4Factory()
Пример #2
0
  def Integrate(self):
    integrate = _Integrate(params=PhilIndex.params.xds.integrate)
    integrate.set_working_directory(self.get_working_directory())

    integrate.setup_from_imageset(self.get_imageset())

    if self.get_distance():
      integrate.set_distance(self.get_distance())

    if self.get_wavelength():
      integrate.set_wavelength(self.get_wavelength())

    auto_logfiler(integrate, 'INTEGRATE')

    return integrate
Пример #3
0
    def Integrate(self):
        integrate = _Integrate(params=PhilIndex.params.xds.integrate)
        integrate.set_working_directory(self.get_working_directory())

        integrate.setup_from_imageset(self.get_imageset())

        if self.get_distance():
            integrate.set_distance(self.get_distance())

        if self.get_wavelength():
            integrate.set_wavelength(self.get_wavelength())

        auto_logfiler(integrate, "INTEGRATE")

        return integrate
Пример #4
0
  def __init__(self):
    super(XDSIntegrater, self).__init__()

    # check that the programs exist - this will raise an exception if
    # they do not...

    integrate = _Integrate()

    # place to store working data
    self._xds_data_files = { }

    # internal parameters to pass around
    self._xds_integrate_parameters = { }

    # factory for pointless -used for converting INTEGRATE.HKL to .mtz
    self._factory = CCP4Factory()

    return